Computational ADMET Scientist - Drug Metabolism / Metabolomics Focus

<p><strong>About Deep Origin</strong><br>Deep Origin is a biotechnology company accelerating drug discovery through AI-powered tools. Our platforms simplify R&amp;D, simulate biology, and empower scientists to solve diseases and extend human healthspan through software solutions and partnerships. We combine cutting-edge computational science with deep biological expertise to tackle some of the most pressing challenges in healthcare.</p><p><strong>Role Description</strong><br>We are seeking a Computational ADMET Scientist with deep expertise in drug metabolism to design and build predictive systems for Phase I and Phase II metabolic pathways. Your work will directly contribute to the development of AI-driven tools that predict metabolic routes, enzyme/isoform involvement, sites of metabolism, regioselectivity, and metabolite toxicity—helping accelerate safe and effective drug design.</p><p>This position calls for a creative scientist who thrives at the intersection of data mining, statistical and kinetic modeling as well as cheminformatics, machine learning and computational chemistry.</p><p></p><p><strong>Requirements</strong></p><p></p><ul> <li>PhD (0-2 years) or MS (2-5 years) of relevant experience in Bioinformatics, Systems Biology, Computational Chemistry, or related field;</li> <li>Strong coding skills in Python (additional languages a plus);</li> <li>Proven expertise in drug metabolism, with demonstrable experience in metabolism prediction;</li> <li>Hands-on experience with cheminformatics and ML libraries such as RDKit, CDK, PyTorch, TensorFlow;</li> <li>Ability to critically analyze data and translate findings into actionable predictions and computational models;</li> <li>Collaborative mindset, comfortable working in both autonomous and team-based settings;</li> <li>Adaptability to thrive in a fast-paced, deadline-driven environment.</li> </ul><p><br><strong>Nice-to-have:</strong></p><ul> <li>Familiarity with PBPK (Physiologically-Based Pharmacokinetic) modeling;</li> <li>Prior pharmaceutical or biotech industry experience.</li> </ul><p></p><p><strong>Key Responsibilities:</strong></p><ul> <li>Develop and refine computational approaches to predict Phase I and Phase II metabolic transformations with high sensitivity and precision;</li> <li>Build and optimize algorithms to identify sites of metabolism and predict regioselectivity;</li> <li>Predict enzymes and related isoforms responsible for a given chemotype;</li> <li>Assess toxicological profiles of metabolites;</li> <li>Integrate diverse datasets (experimental and computational) for improved prediction accuracy;</li> <li>Collaborate across a cross-functional scientific team;</li> <li>Document methods and contribute to technology commercialization;</li> <li>Contribute novel ideas to the team;</li> <li>Show a high work ethic within the autonomous remote framework.</li> </ul><p></p><p><strong>Why Join Us?</strong></p><ul> <li>Work on impactful problems at the frontier of AI + chemistry + biology;</li> <li>Collaborate with multidisciplinary teams of scientists;</li> <li>Shape next-generation tools for predictive drug discovery.</li> </ul>